Effect of Surface Oxidation on Oxidative Propane Dehydrogenation over Chromia: An Ab Initio Multiscale Kinetic Study

An increasingly utilized way for the production of propene is propane dehydrogenation. The reaction presents an alternative to conventional processes based on petroleum resources. In this work, we investigate theoretically how Cr2O3 catalyzes this reaction in oxidative and reducing environments. Alt...

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Veröffentlicht in:	ACS catalysis 2021-09, Vol.11 (17), p.11233-11247
Hauptverfasser:	Huš, Matej, Kopač, Drejc, Bajec, David, Likozar, Blaž
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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